3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide

C9H7ClN4S2 — CID 63087084

IUPAC3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nncs2)c(Cl)c1
InChIInChI=1S/C9H7ClN4S2/c10-6-3-5(8(11)12)1-2-7(6)16-9-14-13-4-15-9/h1-4H,(H3,11,12)
InChIKeyLNFQIBDEOXFLRI-UHFFFAOYSA-N
MW270.77 g/mol
LogP2.63
Rot. Bonds3

About 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide

3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 63087084) has the molecular formula C9H7ClN4S2 and a molecular weight of 270.77 g/mol. Its IUPAC name is 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID63087084
Molecular FormulaC9H7ClN4S2
Molecular Weight270.77 g/mol
Exact Mass269.98
IUPAC Name3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nncs2)c(Cl)c1
InChIInChI=1S/C9H7ClN4S2/c10-6-3-5(8(11)12)1-2-7(6)16-9-14-13-4-15-9/h1-4H,(H3,11,12)
InChIKeyLNFQIBDEOXFLRI-UHFFFAOYSA-N
XLogP2.63
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76984490
3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
CID 55223593
3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol
CID 114865454
3-chloro-4-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750100
3-chloro-4-(cyclopentylmethylsulfanyl)benzenecarboximidamide
CID 55176767
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668601
3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 102668600
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668557
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
3,5-dichloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 106891300

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide (CID 63087084) is 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2nncs2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is LNFQIBDEOXFLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S2/c10-6-3-5(8(11)12)1-2-7(6)16-9-14-13-4-15-9/h1-4H,(H3,11,12).
What are the key properties of 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 270.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 63087084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).